N-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

C26H36N6O — CID 126461654

IUPACN-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCc1cc(C)n(CC(C)N2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)n1
InChIInChI=1S/C26H36N6O/c1-20-18-21(2)31(29-20)19-22(3)30-16-13-24(14-17-30)32-25(12-15-27-32)28-26(33)11-7-10-23-8-5-4-6-9-23/h4-6,8-9,12,15,18,22,24H,7,10-11,13-14,16-17,19H2,1-3H3,(H,28,33)
InChIKeyPRIFBWWTDSHAOA-UHFFFAOYSA-N
MW448.62 g/mol
LogP4.38
Rot. Bonds9

About N-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

N-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 126461654) has the molecular formula C26H36N6O and a molecular weight of 448.62 g/mol. Its IUPAC name is N-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID126461654
Molecular FormulaC26H36N6O
Molecular Weight448.62 g/mol
Exact Mass448.30
IUPAC NameN-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCc1cc(C)n(CC(C)N2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)n1
InChIInChI=1S/C26H36N6O/c1-20-18-21(2)31(29-20)19-22(3)30-16-13-24(14-17-30)32-25(12-15-27-32)28-26(33)11-7-10-23-8-5-4-6-9-23/h4-6,8-9,12,15,18,22,24H,7,10-11,13-14,16-17,19H2,1-3H3,(H,28,33)
InChIKeyPRIFBWWTDSHAOA-UHFFFAOYSA-N
XLogP4.38
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 126461654) is N-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is Cc1cc(C)n(CC(C)N2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)n1.
What is the InChIKey of N-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is PRIFBWWTDSHAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O/c1-20-18-21(2)31(29-20)19-22(3)30-16-13-24(14-17-30)32-25(12-15-27-32)28-26(33)11-7-10-23-8-5-4-6-9-23/h4-6,8-9,12,15,18,22,24H,7,10-11,13-14,16-17,19H2,1-3H3,(H,28,33).
What are the key properties of N-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 448.62 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 126461654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).